Protein structure refinement using a quantum mechanics-based chemical shielding predictor† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04344e Click here for additional data file.
نویسندگان
چکیده
Additional supplementary material, including the structures used in the chemical shift prediction, can be found on Table S1. UniProt codes, names, PDB IDs and resolution of the X-ray structures, residues included in the models, and the BMRB codes of the chemical shift data of the 17 proteins used in this study. " a " indicates an NMR refined x-ray structure.
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